Geometry & MOs

Info

ID:	152648
PubChem CID:	56311668
Reduced:	FSO2N3C24H26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	387.212219
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	1.81
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=NC(=CS2)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations